methyl 3-(3-benzamidobutanoylamino)-3-(3,4-dimethoxyphenyl)propanoate

Systemtic Name: methyl 3-(3-benzamidobutanoylamino)-3-(3,4-dimethoxyphenyl)propanoate Openeye Name: methyl 3-(3-benzamidobutanoylamino)-3-(3,4-dimethoxyphenyl)propanoate CAS Name: 3-[(3-benzamido-1-oxobutyl)amino]-3-(3,4-dimethoxyphenyl)propanoic acid methyl ester IUPAC Name: methyl 3-(3-benzamidobutanoylamino)-3-(3,4-dimethoxyphenyl)propanoate Traditional Name: 3-(3-benzamidobutanoylamino)-3-(3,4-dimethoxyphenyl)propionic acid methyl ester Formula: C23H28N2O6 MolecularWeight: 428.47822

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)NC(CC(=O)OC)C1=CC(=C(C=C1)OC)OC)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(CC(=O)NC(CC(=O)OC)C1=CC(=C(C=C1)OC)OC)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C23H28N2O6/c1-15(24-23(28)16-8-6-5-7-9-16)12-21(26)25-18(14-22(27)31-4)17-10-11-19(29-2)20(13-17)30-3/h5-11,13,15,18H,12,14H2,1-4H3,(H,24,28)(H,25,26)